Information card for entry 7108227

Structure parameters

• Formula: C56 H64 N2 Si2
• Calculated formula: C56 H64 N2 Si2
• SMILES: C(#CC(c1ccc(N)cc1)=C=C=C(C#CC(=C=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)c1ccc(N)cc1)c1ccccc1)c1ccccc1)[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Highly pi electron-rich macro-aromatics: bis(p-aminophenyl)-carbo-benzenes and their DBA acyclic references
• Authors of publication: Remi Chauvin; Arnaud Rives; Iaroslav Baglai; Volodymyr Malytskyi; Valerie Maraval; Nathalie Saffon; Zoia Voitenko
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8763
• a: 7.4967 ± 0.0006 Å
• b: 7.7637 ± 0.0007 Å
• c: 21.2257 ± 0.0017 Å
• α: 97.551 ± 0.004°
• β: 93.735 ± 0.004°
• γ: 96.544 ± 0.004°
• Cell volume: 1212.66 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No